Journal article
In Silico Screening of Two-Dimensional Separation Selectivity for Ion Chromatography x Capillary Electrophoresis Separation of Low-Molecular-Mass Organic Acids
Analytical chemistry (Washington), v 89(17), pp 8808-8815
05 Sep 2017
PMID: 28770992
Abstract
A prerequisite for ordered two-dimensional (2D) separations and full utilization of the enhanced 2D peak capacity is selective exploitation of the sample attributes, described as sample dimensionality. In order to take sample dimensionality into account prior to optimization of a 2D separation, a new concept based on construction of 2D separation selectivity maps is proposed and demonstrated for ion chromatography x capillary electrophoresis (ICxCE) separation of low-molecular-mass organic acids as test analytes. For this purpose, 1D separation selectivity maps were constructed based on calculation of pairwise separation factors and identification of critical pairs for four IC stationary phases and 28 levels of background electrolyte pH in CE. The derived IC and CE maps were then superimposed and the effectiveness of the respective 2D separations assessed using an in silico approach, followed by testing examples of one successful and one unsuccessful 2D combination experimentally. The results confirmed the efficacy of the predictions, which require a minimal number of experiments compared-to the traditional one-at-a-time approach. Following the same principles, the proposed framework can also be adapted for optimization of separation selectivity in various 2D combinations and for other applications.
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Details
- Title
- In Silico Screening of Two-Dimensional Separation Selectivity for Ion Chromatography x Capillary Electrophoresis Separation of Low-Molecular-Mass Organic Acids
- Creators
- Leila Ranjbar - University of TasmaniaMohammad Talebi - University of TasmaniaPaul R. Haddad - University of TasmaniaSoo Hyun Park - University of TasmaniaJoan M. Cabot - University of TasmaniaMin Zhang - University of TasmaniaPetr Smejkal - University of TasmaniaJoe P. Foley - Drexel UniversityMichael C. Breadmore - University of Tasmania
- Publication Details
- Analytical chemistry (Washington), v 89(17), pp 8808-8815
- Publisher
- American Chemical Society; Washington, DC
- Number of pages
- 8
- Grant note
- CE 140100012 / ARC Centre of Excellence Scheme; Australian Research Council FT130100101 / ARC; Australian Research Council University of Tasmania ACROSS
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000410014900035
- Scopus ID
- 2-s2.0-85028910270
- Other Identifier
- 991019168190404721
InCites Highlights
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Analytical